5-[(1R)-1-(cyclohexanecarbonylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid

C18H21N3O4 — CID 75368292

IUPAC5-[(1R)-1-(cyclohexanecarbonylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
SMILESC[C@@H](NC(=O)C1CCCCC1)c1onc(-c2cccnc2)c1C(=O)O
InChIInChI=1S/C18H21N3O4/c1-11(20-17(22)12-6-3-2-4-7-12)16-14(18(23)24)15(21-25-16)13-8-5-9-19-10-13/h5,8-12H,2-4,6-7H2,1H3,(H,20,22)(H,23,24)/t11-/m1/s1
InChIKeyLRZFTCKQCMMNEW-LLVKDONJSA-N
MW343.38 g/mol
LogP3.19
Rot. Bonds5

About 5-[(1R)-1-(cyclohexanecarbonylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid

5-[(1R)-1-(cyclohexanecarbonylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 75368292) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 5-[(1R)-1-(cyclohexanecarbonylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(1R)-1-(cyclohexanecarbonylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
PubChem CID75368292
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name5-[(1R)-1-(cyclohexanecarbonylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid
SMILESC[C@@H](NC(=O)C1CCCCC1)c1onc(-c2cccnc2)c1C(=O)O
InChIInChI=1S/C18H21N3O4/c1-11(20-17(22)12-6-3-2-4-7-12)16-14(18(23)24)15(21-25-16)13-8-5-9-19-10-13/h5,8-12H,2-4,6-7H2,1H3,(H,20,22)(H,23,24)/t11-/m1/s1
InChIKeyLRZFTCKQCMMNEW-LLVKDONJSA-N
XLogP3.19
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(cyclohexanecarbonylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-[(1R)-1-(cyclohexanecarbonylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid (CID 75368292) is 5-[(1R)-1-(cyclohexanecarbonylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[(1R)-1-(cyclohexanecarbonylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[(1R)-1-(cyclohexanecarbonylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid is C[C@@H](NC(=O)C1CCCCC1)c1onc(-c2cccnc2)c1C(=O)O.
What is the InChIKey of 5-[(1R)-1-(cyclohexanecarbonylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is LRZFTCKQCMMNEW-LLVKDONJSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-11(20-17(22)12-6-3-2-4-7-12)16-14(18(23)24)15(21-25-16)13-8-5-9-19-10-13/h5,8-12H,2-4,6-7H2,1H3,(H,20,22)(H,23,24)/t11-/m1/s1.
What are the key properties of 5-[(1R)-1-(cyclohexanecarbonylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid?
5-[(1R)-1-(cyclohexanecarbonylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(cyclohexanecarbonylamino)ethyl]-3-pyridin-3-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 75368292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).